N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine

C14H21BrFN — CID 63842766

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCc1ccc(Br)cc1F
InChIInChI=1S/C14H21BrFN/c1-4-11(5-2)10(3)17-9-12-6-7-13(15)8-14(12)16/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyHHAQPAUXRFHKJX-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.50
Rot. Bonds6

About N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine

N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine (PubChem CID 63842766) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine
PubChem CID63842766
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCc1ccc(Br)cc1F
InChIInChI=1S/C14H21BrFN/c1-4-11(5-2)10(3)17-9-12-6-7-13(15)8-14(12)16/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyHHAQPAUXRFHKJX-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43242831
(2S)-2-[(4-bromo-2-fluorophenyl)methylamino]butan-1-ol
CID 51863621
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347202
N-[(4-bromo-2-fluorophenyl)methyl]octan-2-amine
CID 43220783
N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221510
methyl 2-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentanoate
CID 43230998
3-[(4-bromo-2-fluorophenyl)methyl]pentan-2-amine
CID 61000121
N-[(4-bromo-2-fluorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049646
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
CID 65148579
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403419

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine (CID 63842766) is N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine is CCC(CC)C(C)NCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine?
The InChIKey is HHAQPAUXRFHKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-4-11(5-2)10(3)17-9-12-6-7-13(15)8-14(12)16/h6-8,10-11,17H,4-5,9H2,1-3H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine has a molecular weight of 302.23 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine is sourced from PubChem (CID 63842766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).